Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2CC1CCCCC1 |
MW: | 396.619 |
Fraction sp3: | 0.69 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 17.4 |
cLogP: | 6.55710000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-14
0.639
DAR-DIA-eace69ff-4
0.631
DAR-DIA-eace69ff-9
0.619
DAR-DIA-eace69ff-16
0.588
DAR-DIA-eace69ff-1
0.528
DAR-DIA-eace69ff-11
0.505
DAR-DIA-eace69ff-15
0.505
DAR-DIA-eace69ff-7
0.484
DAR-DIA-eace69ff-8
0.442
DAR-DIA-eace69ff-27
0.435
DAR-DIA-eace69ff-19
0.430
DAR-DIA-eace69ff-18
0.419
DAR-DIA-eace69ff-17
0.387
DAR-DIA-eace69ff-2
0.379
DAR-DIA-eace69ff-3
0.359
DAR-DIA-eace69ff-5
0.350
DAR-DIA-eace69ff-6
0.333
DAR-DIA-eace69ff-10
0.320
DAR-DIA-eace69ff-12
0.320
DAR-DIA-eace69ff-29
0.304
DAR-DIA-eace69ff-24
0.295
DAR-DIA-eace69ff-28
0.250
DAR-DIA-eace69ff-25
0.237
DAR-DIA-eace69ff-20
0.232
DAR-DIA-eace69ff-34
0.220
DAR-DIA-eace69ff-26
0.219
TIM-UNK-bbdeee69-1
0.217
BEN-VAN-d8fd1356-27
0.217
BAR-COM-4e090d3a-65
0.208
BEN-VAN-d8fd1356-25
0.202
DAR-DIA-eace69ff-22
0.200
JOH-ILL-da934517-2
0.196
BAR-COM-4e090d3a-26
0.191
JUL-TUD-06b2044f-114
0.190
JOH-IMS-0f19a540-8
0.190
BEN-VAN-d8fd1356-26
0.187
DAR-DIA-eace69ff-23
0.186
SAD-SAT-d8079f6f-9
0.185
BEN-VAN-d8fd1356-28
0.183
SID-ELM-2583a2cd-15
0.182
WAR-XCH-bdd24732-38
0.180
FRA-LAB-04e32718-1
0.179
MAR-TRE-92684b97-83
0.178
DAR-DIA-eace69ff-30
0.178
MAR-TRE-b77b7921-22
0.176
DAR-DIA-eace69ff-35
0.176
MAR-TRE-d3c2bf0e-24
0.176
DAR-DIA-eace69ff-21
0.175
MAR-TRE-fffca54f-95
0.174
MIC-UNK-c85ea37c-1
0.172
BAR-COM-4e090d3a-34
0.171
VLA-UCB-34f3ed0c-14
0.170
VLA-UNK-f702bf1c-6
0.170
BEN-VAN-d8fd1356-29
0.170
MAR-TRE-3159af1a-49
0.170
ALI-DIA-59c2fdb0-3
0.169
ERI-UCB-ce40166b-22
0.169
SAN-PRS-52b81272-1
0.168
VLA-UCB-34f3ed0c-2
0.168
VLA-UCB-1dbca3b4-12
0.168
MAK-UNK-01147c51-7
0.167
MAR-TRE-3724962b-9
0.167
DAR-DIA-eace69ff-31
0.167
LYN-UNI-7bb260d6-6
0.167
ADA-UCB-dc2b944c-1
0.165
DAR-DIA-667e571f-7
0.165
ALI-DIA-59c2fdb0-2
0.165
SID-ELM-b654bfa2-9
0.165
DAR-DIA-0d514e7d-4
0.164
MAT-POS-b5746674-114
0.164
SID-ELM-8b394441-18
0.163
ALP-POS-02c6a514-16
0.163
ALP-POS-b0bc6a46-10
0.163
MAT-POS-590ac91e-49
0.163
MAR-TRE-b77b7921-16
0.162
MAR-TRE-b77b7921-59
0.162
MAK-UNK-230cdef2-7
0.162
ROB-UNI-b2e39629-8
0.162
FRA-BIO-8bf1eac9-2
0.162
MAR-LAB-ff9967db-38
0.162
MAR-TRE-04c86cea-25
0.161
WAR-XCH-bdd24732-37
0.160
MIC-UNK-96659df2-1
0.160
RED-RED-10c9212c-39
0.160
MAT-POS-b5746674-116
0.159
VIC-UNK-4c50f32e-1
0.159
MAR-TRE-d3c2bf0e-23
0.159
NIM-UNI-310206f0-29
0.159
SID-ELM-2583a2cd-4
0.159
ANT-OPE-47f3bb65-2
0.158
SAD-SAT-24589cd1-9
0.158
MAT-POS-173a45da-1
0.158
ALP-POS-bb8a3193-8
0.158
SAD-SAT-cefd50cc-4
0.158
MAT-POS-ea426761-89
0.158
SID-ELM-2583a2cd-21
0.157
SID-ELM-b654bfa2-12
0.157
ALP-POS-64a710fa-1
0.157
ANT-OPE-47f3bb65-3
0.157
LON-WEI-b8d98729-34
0.157